(5E)-2-methyldeca-5,9-diene-3,7-diol

C11H20O2 — CID 165357860

IUPAC(5E)-2-methyldeca-5,9-diene-3,7-diol
SMILESC=CCC(O)/C=C/CC(O)C(C)C
InChIInChI=1S/C11H20O2/c1-4-6-10(12)7-5-8-11(13)9(2)3/h4-5,7,9-13H,1,6,8H2,2-3H3/b7-5+
InChIKeyMCEYXLGPUITMPN-FNORWQNLSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds6

About (5E)-2-methyldeca-5,9-diene-3,7-diol

(5E)-2-methyldeca-5,9-diene-3,7-diol (PubChem CID 165357860) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5E)-2-methyldeca-5,9-diene-3,7-diol.

Molecular Properties

Compound Name(5E)-2-methyldeca-5,9-diene-3,7-diol
PubChem CID165357860
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5E)-2-methyldeca-5,9-diene-3,7-diol
SMILESC=CCC(O)/C=C/CC(O)C(C)C
InChIInChI=1S/C11H20O2/c1-4-6-10(12)7-5-8-11(13)9(2)3/h4-5,7,9-13H,1,6,8H2,2-3H3/b7-5+
InChIKeyMCEYXLGPUITMPN-FNORWQNLSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 92301
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CID 181296
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CID 5280678
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CID 85734
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CID 12445034
CID 12445034
CID 5352452
CID 5352452
CID 100197
CID 100197
CID 3017534
CID 3017534
CID 6365607
CID 6365607
CID 5365897
CID 5365897
CID 101648403
CID 101648403
CID 22323960
CID 22323960

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyldeca-5,9-diene-3,7-diol?
The IUPAC name of (5E)-2-methyldeca-5,9-diene-3,7-diol (CID 165357860) is (5E)-2-methyldeca-5,9-diene-3,7-diol.
What is the SMILES notation for (5E)-2-methyldeca-5,9-diene-3,7-diol?
The canonical SMILES for (5E)-2-methyldeca-5,9-diene-3,7-diol is C=CCC(O)/C=C/CC(O)C(C)C.
What is the InChIKey of (5E)-2-methyldeca-5,9-diene-3,7-diol?
The InChIKey is MCEYXLGPUITMPN-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-10(12)7-5-8-11(13)9(2)3/h4-5,7,9-13H,1,6,8H2,2-3H3/b7-5+.
What are the key properties of (5E)-2-methyldeca-5,9-diene-3,7-diol?
(5E)-2-methyldeca-5,9-diene-3,7-diol has a molecular weight of 184.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyldeca-5,9-diene-3,7-diol is sourced from PubChem (CID 165357860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).